CID 51060707

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C22H16FN3O4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C22H16FN3O4/c23-19-9-5-4-8-18(19)22(29)30-17-12-10-15(11-13-17)14-24-26-21(28)20(27)25-16-6-2-1-3-7-16/h1-14H,(H,25,27)(H,26,28)/b24-14+
InChIKey
NLMNDHDMQQJSOU-ZVHZXABRSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1125 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11978 194.1
[M+Na]+ 428.10172 198.0
[M-H]- 404.10522 203.3
[M+NH4]+ 423.14632 203.2
[M+K]+ 444.07566 194.3
[M+H-H2O]+ 388.10976 182.1
[M+HCOO]- 450.11070 218.9
[M+CH3COO]- 464.12635 229.2
[M+Na-2H]- 426.08717 196.8
[M]+ 405.11195 193.2
[M]- 405.11305 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.